Cohesive Energy Featurizer not working

Matminer
1

Hello, I am trying to use the composition featurizer, Cohesive Energy, however I get errors for most compounds and get 0 for the rest of them. Is there something I am missing?
This was my attempt
data = load_dataset(“citrine_thermal_conductivity”)

data = StrToComposition().featurize_dataframe(data,“formula”)

data = CohesiveEnergy().featurize_dataframe(data,“composition”,ignore_errors = True)

Br

Nahom

2

Hello Nahom,

A few guesses at what might be happening:

  • The CohesiveEnergy featurizer requires an Materials Project API key. Have you supplied one?
  • The featurizer only works for compositions that are contained within the materials project, and will error if the composition is not within.

Can you run “featurize_dataframe” with ignore_errors=False, and let us know what the error is?

Logan

···

From: Nahom Aymere
Sent: Monday, April 8, 2019 7:00 AM
To: matminer
Subject: Cohesive Energy Featurizer not working

Hello, I am trying to use the composition featurizer, Cohesive Energy, however I get errors for most compounds and get 0 for the rest of them. Is there something I am missing?

This was my attempt

data = load_dataset(“citrine_thermal_conductivity”)

data = StrToComposition().featurize_dataframe(data,“formula”)

data = CohesiveEnergy().featurize_dataframe(data,“composition”,ignore_errors = True)

Br

Nahom

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